4-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide

C20H26N4O — CID 10268755

IUPAC4-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCc1cccnc1N1CCN(C(=O)Nc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C20H26N4O/c1-15(2)17-6-8-18(9-7-17)22-20(25)24-13-11-23(12-14-24)19-16(3)5-4-10-21-19/h4-10,15H,11-14H2,1-3H3,(H,22,25)
InChIKeyKXHHXRYTTZZJKH-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.87
Rot. Bonds3

About 4-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide

4-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 10268755) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 4-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
PubChem CID10268755
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name4-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCc1cccnc1N1CCN(C(=O)Nc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C20H26N4O/c1-15(2)17-6-8-18(9-7-17)22-20(25)24-13-11-23(12-14-24)19-16(3)5-4-10-21-19/h4-10,15H,11-14H2,1-3H3,(H,22,25)
InChIKeyKXHHXRYTTZZJKH-UHFFFAOYSA-N
XLogP3.87
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (CID 10268755) is 4-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is Cc1cccnc1N1CCN(C(=O)Nc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 4-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The InChIKey is KXHHXRYTTZZJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15(2)17-6-8-18(9-7-17)22-20(25)24-13-11-23(12-14-24)19-16(3)5-4-10-21-19/h4-10,15H,11-14H2,1-3H3,(H,22,25).
What are the key properties of 4-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
4-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 10268755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).